3,4-dihydro-1H-isoquinolin-2-yl-(4-imidazol-1-yl-3-nitro-phenyl)methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4-imidazol-1-yl-3-nitro-phenyl)methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4-imidazol-1-yl-3-nitro-phenyl)methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-(1-imidazolyl)-3-nitrophenyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4-imidazol-1-yl-3-nitrophenyl)methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4-imidazol-1-yl-3-nitro-phenyl)methanone Formula: C19H16N4O3 MolecularWeight: 348.35534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O3/c24-19(21-9-7-14-3-1-2-4-16(14)12-21)15-5-6-17(18(11-15)23(25)26)22-10-8-20-13-22/h1-6,8,10-11,13H,7,9,12H2